Structure of PDB 8exw Chain A Binding Site BS02

Receptor Information
>8exw Chain A (length=779) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDEDPTPYLFVSLEQRRIDQSKPYDSKKSCWIPDEKEGYLLGEIKATKGD
IVSVGLQGGETRDLKKDLLQQVNPPKYEKAEDMSNLTYLNDASVLHNLRQ
RYYNKLIYTYSGLFCVAINPYKRYPVYTNRCAKMYRGKRRNEVPPHIFAI
SDGAYVDMLTNHVNQSMLITGESGAGKTENTKKVIAYFATVGASKGSLED
QVVQTNPVLEAFGNAKTVRNDNSSRFGKFIRIHFGPTGKLAGADIETYLL
EKARVISQQSLERSYHIFYQIMSGSVPGVKEMCFLSDNIYDYYNVSQGKV
TVPNMDDGEEFQLADQAFDILGFTKQEKEDVYRITAAVMHMGGMKFKQRG
REEQAEQDGEEEGGRVSKLFGCDTAELYKNLLKPRIKVGNEFVTQGRNVQ
QVTNSIGALCKGVFDRLFKWLVKKCNETLDTQQKRQHFIGVLDIAGFEIF
EYNGFEQLCINFTNEKLQQFFNHIMFVMEQEEYKKEGINWDFIDFGMDLL
ACIDLIEKPMGILSILEEESMFPKATDQTFSEKLTNTHLGKSAPFQKPKP
PKPGQQAAHFAIAHYAGCVSYNITGWLEKNKDPLNDTVVDQFKKSQNKLL
IEIFADHAGQKGGGFATVSSAYKEQLNSLMTTLRSTQPHFVRCIIPNEMK
QPGVVDAHLVMHQLTCNGVLEGIRICRKGFPNRMMYPDFKMRYMILAPAI
MAAEKVAKNAAGKCLEAVGLDPDMYRIGHTKVFFRAGVLGQMEEFRDERL
GKIMSWMQAWARGYLSRKGFKKLQEQRVA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8exw Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8exw Drosophila melanogaster indirect flight muscle myosin II (subfragment-1)
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N127 P128 G182 G184 K185 T186 E187 N237
Binding residue
(residue number reindexed from 1)		N119 P120 G174 G176 K177 T178 E179 N220
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8exw, PDBe:8exw, PDBj:8exw
PDBsum8exw
PubMed
UniProtP05661|MYSA_DROME Myosin heavy chain, muscle (Gene Name=Mhc)

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